Identification Common Name Cytochalasin Ppho Class Small Molecule Description Cytochalasin Ppho is produced by Phomopsis sp Contaminant Sources Contaminant Type Not Available Chemical Structure Synonyms Value Source Cytochalasin p? HMDB 3-Benzyl-1,5,6,12-tetrahydroxy-4,5,10,12-tetramethyl-3H,4H,5H,6H,6ah,9H,10H,11H,12H,15H,15BH-cycloundeca[e]isoindol-15-yl acetic acid Generator
Chemical Formula C30 H41 NO6 Average Molecular Mass 511.650 g/mol Monoisotopic Mass 511.293 g/mol CAS Registry Number 108050-27-7 IUPAC Name 3-benzyl-5,6,12-trihydroxy-4,5,10,12-tetramethyl-1-oxo-1H,2H,3H,4H,5H,6H,6aH,9H,10H,11H,12H,15H,15bH-cycloundeca[e]isoindol-15-yl acetate Traditional Name 3-benzyl-5,6,12-trihydroxy-4,5,10,12-tetramethyl-1-oxo-2H,3H,4H,6H,6aH,9H,10H,11H,15H,15bH-cycloundeca[e]isoindol-15-yl acetate SMILES CC1C2C(CC3=CC=CC=C3)NC(=O)C22C(\C=C\CC(C)CC(C)(O)\C=C/C2OC(C)=O)C(O)C1(C)O InChI Identifier InChI=1S/C30H41NO6/c1-18-10-9-13-22-26(33)29(5,36)19(2)25-23(16-21-11-7-6-8-12-21)31-27(34)30(22,25)24(37-20(3)32)14-15-28(4,35)17-18/h6-9,11-15,18-19,22-26,33,35-36H,10,16-17H2,1-5H3,(H,31,34)/b13-9+,15-14- InChI Key AVASIWUXPVFFGK-WISUYLHISA-N Chemical Taxonomy Description belongs to the class of organic compounds known as cytochalasans. These are fungal metabolites structurally characterized by the presence of an isoindolone nucleus fused to a macrocyclic ring, which can either a lactone, as in cytochalasin B, a carbonate, as in cytochalasin E, or a carbocycle, as in cytochalasin D, H, and K. Kingdom Organic compounds Super Class Alkaloids and derivatives Class Cytochalasans Sub Class Not Available Direct Parent Cytochalasans Alternative Parents Substituents Carbocyclic cytochalasan skeleton
Cytochalasan
Isoindolone
Isoindoline
Isoindole
Isoindole or derivatives
Monocyclic benzene moiety
Benzenoid
Pyrrolidone
2-pyrrolidone
Cyclic alcohol
Pyrrolidine
Tertiary alcohol
Secondary alcohol
Secondary carboxylic acid amide
Carboxamide group
Carboxylic acid ester
Lactam
Polyol
Carboxylic acid derivative
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Organopnictogen compound
Organic oxygen compound
Alcohol
Organonitrogen compound
Organic oxide
Hydrocarbon derivative
Organic nitrogen compound
Carbonyl group
Organooxygen compound
Aromatic heteropolycyclic compound Molecular Framework Aromatic heteropolycyclic compounds External Descriptors Not Available 
